4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium

Systemtic Name: 4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Openeye Name: 4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium CAS Name: 4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium IUPAC Name: 4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Traditional Name: 4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Formula: C10H14NS+ MolecularWeight: 180.28986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCSC2=CC=CC=C2C1

Isomeric SMILES

C[NH+]1CCSC2=CC=CC=C2C1

InChI

InChI=1S/C10H13NS/c1-11-6-7-12-10-5-3-2-4-9(10)8-11/h2-5H,6-8H2,1H3/p+1